9,10-dinaphthalen-1-ylanthracene;9-naphthalen-2-yl-10-phenylanthracene;9-phenanthren-9-yl-10-phenylanthracene;5-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-phenylanthracen-9-yl)benzo[c]phenanthrene;21-(10-phenylanthracen-9-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene

C216H138 — CID 160608667

IUPAC9,10-dinaphthalen-1-ylanthracene;9-naphthalen-2-yl-10-phenylanthracene;9-phenanthren-9-yl-10-phenylanthracene;5-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-phenylanthracen-9-yl)benzo[c]phenanthrene;21-(10-phenylanthracen-9-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
SMILESc1ccc(-c2c3ccccc3c(-c3cc4c5ccccc5c5ccccc5c4c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cc4cc5ccccc5cc4c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cc4ccc5ccccc5c4c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1.c1ccc2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cccc2c1
InChIInChI=1S/C42H26.2C38H24.2C34H22.C30H20/c1-2-14-27(15-3-1)40-34-22-10-12-24-36(34)42(37-25-13-11-23-35(37)40)39-26-38-30-18-5-4-16-28(30)29-17-6-8-20-32(29)41(38)33-21-9-7-19-31(33)39;1-2-13-26(14-3-1)36-31-18-8-10-20-33(31)38(34-21-11-9-19-32(34)36)35-24-27-23-22-25-12-4-5-15-28(25)37(27)30-17-7-6-16-29(30)35;1-2-12-25(13-3-1)37-31-18-8-10-20-33(31)38(34-21-11-9-19-32(34)37)36-24-28-22-26-14-4-5-15-27(26)23-35(28)29-16-6-7-17-30(29)36;1-3-15-25-23(11-1)13-9-21-27(25)33-29-17-5-7-19-31(29)34(32-20-8-6-18-30(32)33)28-22-10-14-24-12-2-4-16-26(24)28;1-2-12-23(13-3-1)33-28-18-8-10-20-30(28)34(31-21-11-9-19-29(31)33)32-22-24-14-4-5-15-25(24)26-16-6-7-17-27(26)32;1-2-11-22(12-3-1)29-25-14-6-8-16-27(25)30(28-17-9-7-15-26(28)29)24-19-18-21-10-4-5-13-23(21)20-24/h1-26H;2*1-24H;2*1-22H;1-20H
InChIKeyRFFHFJPHWWUNBQ-UHFFFAOYSA-N
MW2733.48 g/mol
LogP61.26
Rot. Bonds12

About 9,10-dinaphthalen-1-ylanthracene;9-naphthalen-2-yl-10-phenylanthracene;9-phenanthren-9-yl-10-phenylanthracene;5-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-phenylanthracen-9-yl)benzo[c]phenanthrene;21-(10-phenylanthracen-9-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene

9,10-dinaphthalen-1-ylanthracene;9-naphthalen-2-yl-10-phenylanthracene;9-phenanthren-9-yl-10-phenylanthracene;5-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-phenylanthracen-9-yl)benzo[c]phenanthrene;21-(10-phenylanthracen-9-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene (PubChem CID 160608667) has the molecular formula C216H138 and a molecular weight of 2733.48 g/mol. Its IUPAC name is 9,10-dinaphthalen-1-ylanthracene;9-naphthalen-2-yl-10-phenylanthracene;9-phenanthren-9-yl-10-phenylanthracene;5-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-phenylanthracen-9-yl)benzo[c]phenanthrene;21-(10-phenylanthracen-9-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene.

Molecular Properties

Compound Name9,10-dinaphthalen-1-ylanthracene;9-naphthalen-2-yl-10-phenylanthracene;9-phenanthren-9-yl-10-phenylanthracene;5-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-phenylanthracen-9-yl)benzo[c]phenanthrene;21-(10-phenylanthracen-9-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
PubChem CID160608667
Molecular FormulaC216H138
Molecular Weight2733.48 g/mol
Exact Mass2731.08
IUPAC Name9,10-dinaphthalen-1-ylanthracene;9-naphthalen-2-yl-10-phenylanthracene;9-phenanthren-9-yl-10-phenylanthracene;5-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-phenylanthracen-9-yl)benzo[c]phenanthrene;21-(10-phenylanthracen-9-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
SMILESc1ccc(-c2c3ccccc3c(-c3cc4c5ccccc5c5ccccc5c4c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cc4cc5ccccc5cc4c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cc4ccc5ccccc5c4c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1.c1ccc2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cccc2c1
InChIInChI=1S/C42H26.2C38H24.2C34H22.C30H20/c1-2-14-27(15-3-1)40-34-22-10-12-24-36(34)42(37-25-13-11-23-35(37)40)39-26-38-30-18-5-4-16-28(30)29-17-6-8-20-32(29)41(38)33-21-9-7-19-31(33)39;1-2-13-26(14-3-1)36-31-18-8-10-20-33(31)38(34-21-11-9-19-32(34)36)35-24-27-23-22-25-12-4-5-15-28(25)37(27)30-17-7-6-16-29(30)35;1-2-12-25(13-3-1)37-31-18-8-10-20-33(31)38(34-21-11-9-19-32(34)37)36-24-28-22-26-14-4-5-15-27(26)23-35(28)29-16-6-7-17-30(29)36;1-3-15-25-23(11-1)13-9-21-27(25)33-29-17-5-7-19-31(29)34(32-20-8-6-18-30(32)33)28-22-10-14-24-12-2-4-16-26(24)28;1-2-12-23(13-3-1)33-28-18-8-10-20-30(28)34(31-21-11-9-19-29(31)33)32-22-24-14-4-5-15-25(24)26-16-6-7-17-27(26)32;1-2-11-22(12-3-1)29-25-14-6-8-16-27(25)30(28-17-9-7-15-26(28)29)24-19-18-21-10-4-5-13-23(21)20-24/h1-26H;2*1-24H;2*1-22H;1-20H
InChIKeyRFFHFJPHWWUNBQ-UHFFFAOYSA-N
XLogP61.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms216
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002733.48
LogP ≤ 561.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9,10-dinaphthalen-1-ylanthracene;9-naphthalen-2-yl-10-phenylanthracene;9-phenanthren-9-yl-10-phenylanthracene;5-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-phenylanthracen-9-yl)benzo[c]phenanthrene;21-(10-phenylanthracen-9-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9,10-dinaphthalen-1-ylanthracene;9-naphthalen-2-yl-10-phenylanthracene;9-phenanthren-9-yl-10-phenylanthracene;5-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-phenylanthracen-9-yl)benzo[c]phenanthrene;21-(10-phenylanthracen-9-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene?
The IUPAC name of 9,10-dinaphthalen-1-ylanthracene;9-naphthalen-2-yl-10-phenylanthracene;9-phenanthren-9-yl-10-phenylanthracene;5-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-phenylanthracen-9-yl)benzo[c]phenanthrene;21-(10-phenylanthracen-9-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene (CID 160608667) is 9,10-dinaphthalen-1-ylanthracene;9-naphthalen-2-yl-10-phenylanthracene;9-phenanthren-9-yl-10-phenylanthracene;5-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-phenylanthracen-9-yl)benzo[c]phenanthrene;21-(10-phenylanthracen-9-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene.
What is the SMILES notation for 9,10-dinaphthalen-1-ylanthracene;9-naphthalen-2-yl-10-phenylanthracene;9-phenanthren-9-yl-10-phenylanthracene;5-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-phenylanthracen-9-yl)benzo[c]phenanthrene;21-(10-phenylanthracen-9-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene?
The canonical SMILES for 9,10-dinaphthalen-1-ylanthracene;9-naphthalen-2-yl-10-phenylanthracene;9-phenanthren-9-yl-10-phenylanthracene;5-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-phenylanthracen-9-yl)benzo[c]phenanthrene;21-(10-phenylanthracen-9-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene is c1ccc(-c2c3ccccc3c(-c3cc4c5ccccc5c5ccccc5c4c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cc4cc5ccccc5cc4c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cc4ccc5ccccc5c4c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1.c1ccc2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cccc2c1.
What is the InChIKey of 9,10-dinaphthalen-1-ylanthracene;9-naphthalen-2-yl-10-phenylanthracene;9-phenanthren-9-yl-10-phenylanthracene;5-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-phenylanthracen-9-yl)benzo[c]phenanthrene;21-(10-phenylanthracen-9-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene?
The InChIKey is RFFHFJPHWWUNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26.2C38H24.2C34H22.C30H20/c1-2-14-27(15-3-1)40-34-22-10-12-24-36(34)42(37-25-13-11-23-35(37)40)39-26-38-30-18-5-4-16-28(30)29-17-6-8-20-32(29)41(38)33-21-9-7-19-31(33)39;1-2-13-26(14-3-1)36-31-18-8-10-20-33(31)38(34-21-11-9-19-32(34)36)35-24-27-23-22-25-12-4-5-15-28(25)37(27)30-17-7-6-16-29(30)35;1-2-12-25(13-3-1)37-31-18-8-10-20-33(31)38(34-21-11-9-19-32(34)37)36-24-28-22-26-14-4-5-15-27(26)23-35(28)29-16-6-7-17-30(29)36;1-3-15-25-23(11-1)13-9-21-27(25)33-29-17-5-7-19-31(29)34(32-20-8-6-18-30(32)33)28-22-10-14-24-12-2-4-16-26(24)28;1-2-12-23(13-3-1)33-28-18-8-10-20-30(28)34(31-21-11-9-19-29(31)33)32-22-24-14-4-5-15-25(24)26-16-6-7-17-27(26)32;1-2-11-22(12-3-1)29-25-14-6-8-16-27(25)30(28-17-9-7-15-26(28)29)24-19-18-21-10-4-5-13-23(21)20-24/h1-26H;2*1-24H;2*1-22H;1-20H.
What are the key properties of 9,10-dinaphthalen-1-ylanthracene;9-naphthalen-2-yl-10-phenylanthracene;9-phenanthren-9-yl-10-phenylanthracene;5-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-phenylanthracen-9-yl)benzo[c]phenanthrene;21-(10-phenylanthracen-9-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene?
9,10-dinaphthalen-1-ylanthracene;9-naphthalen-2-yl-10-phenylanthracene;9-phenanthren-9-yl-10-phenylanthracene;5-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-phenylanthracen-9-yl)benzo[c]phenanthrene;21-(10-phenylanthracen-9-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene has a molecular weight of 2733.48 g/mol, XLogP of 61.26, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dinaphthalen-1-ylanthracene;9-naphthalen-2-yl-10-phenylanthracene;9-phenanthren-9-yl-10-phenylanthracene;5-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-phenylanthracen-9-yl)benzo[c]phenanthrene;21-(10-phenylanthracen-9-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene is sourced from PubChem (CID 160608667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).